SCHEMBL4609768

SCHEMBL4609768

CC(C)Oc1ccc2c(c1)C(C)(C)C1COc3c(F)cccc3[C@H]1N2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACHE P22303 9/20 0.31
BCHE P06276 7/20 0.31
NR3C1 P04150 2/20 0.31
PDK2 Q15119 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4556317 1.00 TP53 (0.32) TP53SMN1; SMN2ACHEBCHENR3C1
SCHEMBL4556213 0.80 GAA (0.34)
SCHEMBL4569672 0.78 KIF11 (0.32)
SCHEMBL4864827 0.76 ALDH1A1 (0.36) TP53SMN1; SMN2
SCHEMBL4629687 0.75 TACR1 (0.38)
SCHEMBL4556463 0.74 BCHE (0.30) ACHEBCHE
SCHEMBL4555981 0.73 KIF11 (0.35) TP53SMN1; SMN2
SCHEMBL4866323 0.73 KIF11 (0.35) TP53SMN1; SMN2
SCHEMBL14625428 0.72 PGR (0.38)
SCHEMBL4555664 0.72 PGR (0.38)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
EP-1907395-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-04-09 EP disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US disclosed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US disclosed
WO-2007002867-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-01-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP TP53 4391/4885SMN1; SMN2 4609/4885ACHE 3879/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP TP53 4391/4885SMN1; SMN2 4609/4885ACHE 3879/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP TP53 4391/4885SMN1; SMN2 4609/4885ACHE 3879/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.